1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

C12H16F3N3O2 — CID 4770930

IUPAC1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)n(C)n1)C1CCCO1
InChIInChI=1S/C12H16F3N3O2/c1-7(9-4-3-5-20-9)16-11(19)8-6-10(12(13,14)15)18(2)17-8/h6-7,9H,3-5H2,1-2H3,(H,16,19)
InChIKeyREODLLVPAFTVNM-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.74
Rot. Bonds3

About 1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 4770930) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID4770930
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)n(C)n1)C1CCCO1
InChIInChI=1S/C12H16F3N3O2/c1-7(9-4-3-5-20-9)16-11(19)8-6-10(12(13,14)15)18(2)17-8/h6-7,9H,3-5H2,1-2H3,(H,16,19)
InChIKeyREODLLVPAFTVNM-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 98331341
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 6466404
1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 51390176
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 19575574
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
1-methyl-4-nitro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390109
7-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 35242555
1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide
CID 35245265
1,3-dimethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 35251975
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267771
6-methyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 43067379
5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 35257790

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 4770930) is 1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)n(C)n1)C1CCCO1.
What is the InChIKey of 1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is REODLLVPAFTVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-7(9-4-3-5-20-9)16-11(19)8-6-10(12(13,14)15)18(2)17-8/h6-7,9H,3-5H2,1-2H3,(H,16,19).
What are the key properties of 1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4770930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).